# generated using pymatgen data_Ta9(NiP2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.42335624 _cell_length_b 11.42335624 _cell_length_c 3.44772043 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta9(NiP2)2 _chemical_formula_sum 'Ta18 Ni4 P8' _cell_volume 449.90361521 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ta Ta0 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta1 1 0.50000000 0.50000000 0.00000000 1.0 Ta Ta2 1 0.10318464 0.18378971 0.50000000 1.0 Ta Ta3 1 0.18378971 0.89681536 0.50000000 1.0 Ta Ta4 1 0.81621029 0.10318464 0.50000000 1.0 Ta Ta5 1 0.89681536 0.81621029 0.50000000 1.0 Ta Ta6 1 0.39681536 0.68378971 0.50000000 1.0 Ta Ta7 1 0.60318464 0.31621029 0.50000000 1.0 Ta Ta8 1 0.68378971 0.60318464 0.50000000 1.0 Ta Ta9 1 0.31621029 0.39681536 0.50000000 1.0 Ta Ta10 1 0.10196149 0.39803851 0.00000000 1.0 Ta Ta11 1 0.39803851 0.89803851 0.00000000 1.0 Ta Ta12 1 0.60196149 0.10196149 0.00000000 1.0 Ta Ta13 1 0.89803851 0.60196149 0.00000000 1.0 Ta Ta14 1 0.39328654 0.10671346 0.50000000 1.0 Ta Ta15 1 0.10671346 0.60671346 0.50000000 1.0 Ta Ta16 1 0.89328654 0.39328654 0.50000000 1.0 Ta Ta17 1 0.60671346 0.89328654 0.50000000 1.0 Ni Ni18 1 0.26528245 0.23471755 0.00000000 1.0 Ni Ni19 1 0.23471755 0.73471755 0.00000000 1.0 Ni Ni20 1 0.76528245 0.26528245 0.00000000 1.0 Ni Ni21 1 0.73471755 0.76528245 0.00000000 1.0 P P22 1 0.22633380 0.05272034 0.00000000 1.0 P P23 1 0.05272034 0.77366620 0.00000000 1.0 P P24 1 0.94727966 0.22633380 0.00000000 1.0 P P25 1 0.77366620 0.94727966 0.00000000 1.0 P P26 1 0.27366620 0.55272034 0.00000000 1.0 P P27 1 0.72633380 0.44727966 0.00000000 1.0 P P28 1 0.55272034 0.72633380 0.00000000 1.0 P P29 1 0.44727966 0.27366620 0.00000000 1.0